Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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You are here: Calculated > Energy > Correlation > Full vs Frozen core energies |
Energy (hartrees) | |
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frozen core | -169.4872037 |
correlated core | -169.4948080 |
difference | -0.0076043 |
Energy (hartrees) | |
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frozen core | -169.4954587 |
correlated core | -169.5030902 |
difference | -0.0076315 |
Energy (hartrees) | |
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frozen core | -169.4902840 |
correlated core | -169.4978891 |
difference | -0.0076050 |